Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(3-methoxyphenyl)-3-methylpiperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL546245
SMILES COc1cccc(c1)N1CCN(CC1C)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H38N2O4 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O4/c1-18-15-28(10-11-29(18)19-6-4-7-20(12-19)31-3)16-22-21-13-24-26(2,14-23(21)33-25(22)30)8-5-9-27(24)17-32-27/h4,6-7,12,18,21-24H,5,8-11,13-17H2,1-3H3/t18?,21-,22?,23-,24?,26-,27?/m1/s1InChIKey
BHDFYQPSESKSJM-HYZCHLFVSA-NSynonyms
1214634-02-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(3methoxyphenyl)3methylpiperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4(3methoxyphenyl)3methylpiperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1214634022
16396417
COc1cccc(c1)N1CCN(CC1C)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC27H38N2O4c1181528(101129(18)1964720(1219)313)162221132426(21423(21)3325(22)30)85927(24)173227h46712182124H58111317H213H3t18?2122?2324?2627?m1s1
ZINC000252693167
ZINC000252693170
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